quinolizine-2,4-dione

C9H7NO2 — CID 154016772

IUPACquinolizine-2,4-dione
SMILESO=C1C=C2C=CC=CN2C(=O)C1
InChIInChI=1S/C9H7NO2/c11-8-5-7-3-1-2-4-10(7)9(12)6-8/h1-5H,6H2
InChIKeyHRMIQNZVYZSJCC-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.76
Rot. Bonds

About quinolizine-2,4-dione

quinolizine-2,4-dione (PubChem CID 154016772) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is quinolizine-2,4-dione.

Molecular Properties

Compound Namequinolizine-2,4-dione
PubChem CID154016772
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Namequinolizine-2,4-dione
SMILESO=C1C=C2C=CC=CN2C(=O)C1
InChIInChI=1S/C9H7NO2/c11-8-5-7-3-1-2-4-10(7)9(12)6-8/h1-5H,6H2
InChIKeyHRMIQNZVYZSJCC-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinolizine-2,4-dione?
The IUPAC name of quinolizine-2,4-dione (CID 154016772) is quinolizine-2,4-dione.
What is the SMILES notation for quinolizine-2,4-dione?
The canonical SMILES for quinolizine-2,4-dione is O=C1C=C2C=CC=CN2C(=O)C1.
What is the InChIKey of quinolizine-2,4-dione?
The InChIKey is HRMIQNZVYZSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-5-7-3-1-2-4-10(7)9(12)6-8/h1-5H,6H2.
What are the key properties of quinolizine-2,4-dione?
quinolizine-2,4-dione has a molecular weight of 161.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolizine-2,4-dione is sourced from PubChem (CID 154016772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).